Geometry & MOs

Info

ID:	292926
PubChem CID:	117365332
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-60.07
Dipole, Da:	6.51
IP(EA), eV:	-8.28(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)butanoic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=C(C=C2)C3(CC3)CC(=O)O

DOS

IR

Vibrations